BDBM5234 (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino)cyclohex-1-ene-1-carboxylic acid::C3-Aza Carbocyclic Analogue 3j::CHEMBL320978

SMILES: CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=DLUDMOWAEDKCDD-YNEHKIRRSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 5234   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as subst...				Bioorg Med Chem Lett 27: 5429-5435 (2017) Article DOI: 10.1016/j.bmcl.2017.11.003 BindingDB Entry DOI: 10.7270/Q2QZ2DJP
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of influenza A viral enzyme neuraminidase				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair